2-amino-2-(3-hydroxy-1-adamantyl)-1-(6-methyl-2-azabicyclo[3.1.0]hexan-2-yl)ethanone

C18H28N2O2 — CID 126710006

IUPAC2-amino-2-(3-hydroxy-1-adamantyl)-1-(6-methyl-2-azabicyclo[3.1.0]hexan-2-yl)ethanone
SMILESCC1C2CCN(C(=O)C(N)C34CC5CC(CC(O)(C5)C3)C4)C12
InChIInChI=1S/C18H28N2O2/c1-10-13-2-3-20(14(10)13)16(21)15(19)17-5-11-4-12(6-17)8-18(22,7-11)9-17/h10-15,22H,2-9,19H2,1H3
InChIKeyQUGWQEGTKOTFSJ-UHFFFAOYSA-N
MW304.43 g/mol
LogP1.51
Rot. Bonds2

About 2-amino-2-(3-hydroxy-1-adamantyl)-1-(6-methyl-2-azabicyclo[3.1.0]hexan-2-yl)ethanone

2-amino-2-(3-hydroxy-1-adamantyl)-1-(6-methyl-2-azabicyclo[3.1.0]hexan-2-yl)ethanone (PubChem CID 126710006) has the molecular formula C18H28N2O2 and a molecular weight of 304.43 g/mol. Its IUPAC name is 2-amino-2-(3-hydroxy-1-adamantyl)-1-(6-methyl-2-azabicyclo[3.1.0]hexan-2-yl)ethanone.

Molecular Properties

Compound Name2-amino-2-(3-hydroxy-1-adamantyl)-1-(6-methyl-2-azabicyclo[3.1.0]hexan-2-yl)ethanone
PubChem CID126710006
Molecular FormulaC18H28N2O2
Molecular Weight304.43 g/mol
Exact Mass304.22
IUPAC Name2-amino-2-(3-hydroxy-1-adamantyl)-1-(6-methyl-2-azabicyclo[3.1.0]hexan-2-yl)ethanone
SMILESCC1C2CCN(C(=O)C(N)C34CC5CC(CC(O)(C5)C3)C4)C12
InChIInChI=1S/C18H28N2O2/c1-10-13-2-3-20(14(10)13)16(21)15(19)17-5-11-4-12(6-17)8-18(22,7-11)9-17/h10-15,22H,2-9,19H2,1H3
InChIKeyQUGWQEGTKOTFSJ-UHFFFAOYSA-N
XLogP1.51
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.43
LogP ≤ 51.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-amino-2-(3-hydroxy-1-adamantyl)-1-(6-methyl-2-azabicyclo[3.1.0]hexan-2-yl)ethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2S)-2-amino-2-(3-hydroxy-1-adamantyl)-1-pyrrolidin-1-ylethanone
CID 11173505
2-amino-2-(3-hydroxy-1-adamantyl)-1-(2-thia-4-azabicyclo[3.1.0]hexan-4-yl)ethanone
CID 23596419
3-[2-amino-2-(3-hydroxy-1-adamantyl)acetyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carboxylic acid
CID 176748817
2-amino-2-(3-hydroxy-1-adamantyl)-1-(2-methylcyclopentyl)ethanone
CID 23596418
(5S,7S)-3-[(1R)-1-aminoethyl]adamantan-1-ol
CID 23309248
(5S)-4-[(2S)-2-amino-2-(3-hydroxy-1-adamantyl)acetyl]-4-azaspiro[2.4]heptane-5-carbonitrile
CID 163846804
2-[2-amino-2-(3-hydroxy-1-adamantyl)acetyl]cyclopentane-1-carboxamide
CID 23596409
(1S,3S,5S)-2-[(2S)-2-amino-2-(3-hydroxy-1-adamantyl)acetyl]-2-azabicyclo[3.1.0]hexane-3-carboxamide;hydrochloride
CID 175673320
(2S)-2-amino-N-(2-cyclopropylethyl)-2-(3-hydroxy-1-adamantyl)acetamide
CID 70339285
(2S)-2-amino-2-(3-hydroxy-1-adamantyl)-1-[(1S,3R,5S)-3-isocyano-2-azabicyclo[3.1.0]hexan-2-yl]ethanone
CID 59264906
(1R,3S,5R)-2-[2-amino-2-[(5S)-3-hydroxy-1-adamantyl]acetyl]-2-azabicyclo[3.1.0]hexane-3-carbonitrile
CID 134694638
(3S,5S)-2-[2-amino-2-(3-hydroxy-1-adamantyl)acetyl]-2-azabicyclo[3.1.0]hexane-3-carbonitrile
CID 90287705

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-(3-hydroxy-1-adamantyl)-1-(6-methyl-2-azabicyclo[3.1.0]hexan-2-yl)ethanone?
The IUPAC name of 2-amino-2-(3-hydroxy-1-adamantyl)-1-(6-methyl-2-azabicyclo[3.1.0]hexan-2-yl)ethanone (CID 126710006) is 2-amino-2-(3-hydroxy-1-adamantyl)-1-(6-methyl-2-azabicyclo[3.1.0]hexan-2-yl)ethanone.
What is the SMILES notation for 2-amino-2-(3-hydroxy-1-adamantyl)-1-(6-methyl-2-azabicyclo[3.1.0]hexan-2-yl)ethanone?
The canonical SMILES for 2-amino-2-(3-hydroxy-1-adamantyl)-1-(6-methyl-2-azabicyclo[3.1.0]hexan-2-yl)ethanone is CC1C2CCN(C(=O)C(N)C34CC5CC(CC(O)(C5)C3)C4)C12.
What is the InChIKey of 2-amino-2-(3-hydroxy-1-adamantyl)-1-(6-methyl-2-azabicyclo[3.1.0]hexan-2-yl)ethanone?
The InChIKey is QUGWQEGTKOTFSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O2/c1-10-13-2-3-20(14(10)13)16(21)15(19)17-5-11-4-12(6-17)8-18(22,7-11)9-17/h10-15,22H,2-9,19H2,1H3.
What are the key properties of 2-amino-2-(3-hydroxy-1-adamantyl)-1-(6-methyl-2-azabicyclo[3.1.0]hexan-2-yl)ethanone?
2-amino-2-(3-hydroxy-1-adamantyl)-1-(6-methyl-2-azabicyclo[3.1.0]hexan-2-yl)ethanone has a molecular weight of 304.43 g/mol, XLogP of 1.51, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-(3-hydroxy-1-adamantyl)-1-(6-methyl-2-azabicyclo[3.1.0]hexan-2-yl)ethanone is sourced from PubChem (CID 126710006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).